N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide

C39H70N2O3 — CID 139845207

IUPACN'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C39H70N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34-40-38(43)39(44)41-35-36-30-32-37(42)33-31-36/h30-33,42H,2-29,34-35H2,1H3,(H,40,43)(H,41,44)
InChIKeyQAJZVCUYMYHBCM-UHFFFAOYSA-N
MW615.00 g/mol
LogP11.07
Rot. Bonds31

About N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide

N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide (PubChem CID 139845207) has the molecular formula C39H70N2O3 and a molecular weight of 615.00 g/mol. Its IUPAC name is N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide.

Molecular Properties

Compound NameN'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
PubChem CID139845207
Molecular FormulaC39H70N2O3
Molecular Weight615.00 g/mol
Exact Mass614.54
IUPAC NameN'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C39H70N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34-40-38(43)39(44)41-35-36-30-32-37(42)33-31-36/h30-33,42H,2-29,34-35H2,1H3,(H,40,43)(H,41,44)
InChIKeyQAJZVCUYMYHBCM-UHFFFAOYSA-N
XLogP11.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.00
LogP ≤ 511.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
4-[(nonadecylamino)methyl]phenol
CID 70039599
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide?
The IUPAC name of N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide (CID 139845207) is N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide.
What is the SMILES notation for N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide?
The canonical SMILES for N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide?
The InChIKey is QAJZVCUYMYHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H70N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34-40-38(43)39(44)41-35-36-30-32-37(42)33-31-36/h30-33,42H,2-29,34-35H2,1H3,(H,40,43)(H,41,44).
What are the key properties of N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide?
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide has a molecular weight of 615.00 g/mol, XLogP of 11.07, 31 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide is sourced from PubChem (CID 139845207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).